BDBM22 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-3-(1H-pyrazol-4-yl)prop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 2
SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2cn[nH]c2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1
InChI Key: InChIKey=UZLMEAPBHYEHAC-UNTBESQGSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM22 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity towards HIV-Protease enzyme. | Bioorg Med Chem Lett 6: 797-802 (1996) Article DOI: 10.1016/0960-894X(96)00108-4 BindingDB Entry DOI: 10.7270/Q2N879SZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM22 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.25 | -13.6 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
DuPont Merck Pharmaceutical Company | Assay Description Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a... | J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M | |||||||||||
More data for this Ligand-Target Pair |